tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane

C29H26OSi — CID 11604120

IUPACtert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane
SMILESCC(C)(C)[Si](OCC#CC#CC#Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26OSi/c1-29(2,3)31(27-21-13-8-14-22-27,28-23-15-9-16-24-28)30-25-17-6-4-5-10-18-26-19-11-7-12-20-26/h7-9,11-16,19-24H,25H2,1-3H3
InChIKeyZWUCWGYAKDUVLH-UHFFFAOYSA-N
MW418.61 g/mol
LogP4.62
Rot. Bonds4

About tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane

tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane (PubChem CID 11604120) has the molecular formula C29H26OSi and a molecular weight of 418.61 g/mol. Its IUPAC name is tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane
PubChem CID11604120
Molecular FormulaC29H26OSi
Molecular Weight418.61 g/mol
Exact Mass418.18
IUPAC Nametert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane
SMILESCC(C)(C)[Si](OCC#CC#CC#Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26OSi/c1-29(2,3)31(27-21-13-8-14-22-27,28-23-15-9-16-24-28)30-25-17-6-4-5-10-18-26-19-11-7-12-20-26/h7-9,11-16,19-24H,25H2,1-3H3
InChIKeyZWUCWGYAKDUVLH-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Silane, (1,1-dimethylethyl)diphenyl(2-propynyloxy)-
CID 610226
Benzene, ((ethoxydimethylsilyl)methyl)-
CID 86972
Bis(phenylethynyl)diphenylsilane
CID 5213428
Dimethylbis(phenylethynyl)silane
CID 11010735
4-(Trimethylsilyl)diphenylacetylene
CID 21093331
(Ethoxy)[tri(O-tolyl)]silane
CID 3476217
Tri(O-tolyl)silanol
CID 4093359
Dimethoxydi-p-tolylsilane
CID 11821755
Benzyl(diphenyl)silicon
CID 6330282
Tris(4-methylphenyl)silanol
CID 244565
Chlorotri(O-tolyl)silane
CID 4091810

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane?
The IUPAC name of tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane (CID 11604120) is tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane.
What is the SMILES notation for tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane?
The canonical SMILES for tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane is CC(C)(C)[Si](OCC#CC#CC#Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane?
The InChIKey is ZWUCWGYAKDUVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26OSi/c1-29(2,3)31(27-21-13-8-14-22-27,28-23-15-9-16-24-28)30-25-17-6-4-5-10-18-26-19-11-7-12-20-26/h7-9,11-16,19-24H,25H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane?
tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane has a molecular weight of 418.61 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(7-phenylhepta-2,4,6-triynoxy)silane is sourced from PubChem (CID 11604120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).